Molecule ID: mol34607

SMILES: COc1ccc(C2=NN(c3ccccc3)C(c3ccc(C(=O)O)cc3)C2)cc1

InChI: InChI=1S/C23H20N2O3/c1-28-20-13-11-16(12-14-20)21-15-22(17-7-9-18(10-8-17)23(26)27)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3,(H,26,27)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.60 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization